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Materials Data on CoH12C2(I2N)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1675781· OSTI ID:1675781
CoI4(CH3NH3)2 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen methylammonium molecules and eight CoI4 clusters. In each CoI4 cluster, Co2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Co–I bond distances ranging from 2.57–2.63 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Co2+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Co2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Co2+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Co2+ atom.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1675781
Report Number(s):
mp-1194525
Country of Publication:
United States
Language:
English

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